2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole

C16H12Cl3NOS — CID 132593171

IUPAC2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESClc1ccc(COc2ccc(C3=NCCS3)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl3NOS/c17-12-3-1-11(13(18)8-12)9-21-15-4-2-10(7-14(15)19)16-20-5-6-22-16/h1-4,7-8H,5-6,9H2
InChIKeySMZOOBIAYJLZAR-UHFFFAOYSA-N
MW372.70 g/mol
LogP5.72
Rot. Bonds4

About 2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole

2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 132593171) has the molecular formula C16H12Cl3NOS and a molecular weight of 372.70 g/mol. Its IUPAC name is 2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID132593171
Molecular FormulaC16H12Cl3NOS
Molecular Weight372.70 g/mol
Exact Mass370.97
IUPAC Name2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESClc1ccc(COc2ccc(C3=NCCS3)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl3NOS/c17-12-3-1-11(13(18)8-12)9-21-15-4-2-10(7-14(15)19)16-20-5-6-22-16/h1-4,7-8H,5-6,9H2
InChIKeySMZOOBIAYJLZAR-UHFFFAOYSA-N
XLogP5.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593167
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252921
2-[3-bromo-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593104
2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240126
[3-[(2,4-dichlorophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79157833
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766
[4-[(2,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728704
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole
CID 132593092

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole (CID 132593171) is 2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole is Clc1ccc(COc2ccc(C3=NCCS3)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is SMZOOBIAYJLZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NOS/c17-12-3-1-11(13(18)8-12)9-21-15-4-2-10(7-14(15)19)16-20-5-6-22-16/h1-4,7-8H,5-6,9H2.
What are the key properties of 2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 372.70 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132593171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).